4-chloro-2,5-difluoro-N-(morpholin-2-ylmethyl)benzamide

C12H13ClF2N2O2 — CID 82772508

IUPAC4-chloro-2,5-difluoro-N-(morpholin-2-ylmethyl)benzamide
SMILESO=C(NCC1CNCCO1)c1cc(F)c(Cl)cc1F
InChIInChI=1S/C12H13ClF2N2O2/c13-9-4-10(14)8(3-11(9)15)12(18)17-6-7-5-16-1-2-19-7/h3-4,7,16H,1-2,5-6H2,(H,17,18)
InChIKeyLTQOKHYATBHKAZ-UHFFFAOYSA-N
MW290.70 g/mol
LogP1.34
Rot. Bonds3

About 4-chloro-2,5-difluoro-N-(morpholin-2-ylmethyl)benzamide

4-chloro-2,5-difluoro-N-(morpholin-2-ylmethyl)benzamide (PubChem CID 82772508) has the molecular formula C12H13ClF2N2O2 and a molecular weight of 290.70 g/mol. Its IUPAC name is 4-chloro-2,5-difluoro-N-(morpholin-2-ylmethyl)benzamide.

Molecular Properties

Compound Name4-chloro-2,5-difluoro-N-(morpholin-2-ylmethyl)benzamide
PubChem CID82772508
Molecular FormulaC12H13ClF2N2O2
Molecular Weight290.70 g/mol
Exact Mass290.06
IUPAC Name4-chloro-2,5-difluoro-N-(morpholin-2-ylmethyl)benzamide
SMILESO=C(NCC1CNCCO1)c1cc(F)c(Cl)cc1F
InChIInChI=1S/C12H13ClF2N2O2/c13-9-4-10(14)8(3-11(9)15)12(18)17-6-7-5-16-1-2-19-7/h3-4,7,16H,1-2,5-6H2,(H,17,18)
InChIKeyLTQOKHYATBHKAZ-UHFFFAOYSA-N
XLogP1.34
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.70
LogP ≤ 51.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

5-bromo-2-fluoro-N-(morpholin-2-ylmethyl)benzamide
CID 113287101
5-chloro-2-hydroxy-N-(morpholin-2-ylmethyl)benzamide
CID 115323836
4-chloro-2-methyl-N-(morpholin-2-ylmethyl)benzamide
CID 114028076
2-bromo-5-fluoro-N-(morpholin-2-ylmethyl)benzamide
CID 113287115
5-chloro-2-fluoro-N-(2-morpholin-2-ylethyl)benzamide
CID 117044843
2,6-dichloro-N-(morpholin-2-ylmethyl)benzamide
CID 113287074
2,3-dichloro-N-(morpholin-2-ylmethyl)-5-nitrobenzamide
CID 107192102
3-fluoro-4-methyl-N-(morpholin-2-ylmethyl)benzamide
CID 43603078
3-bromo-2-fluoro-N-(morpholin-2-ylmethyl)benzamide
CID 107956293
3-(2-fluorophenyl)-N-(morpholin-2-ylmethyl)-1H-pyrazole-5-carboxamide
CID 167869800
3-chloro-N-(morpholin-2-ylmethyl)-5-nitrobenzamide
CID 115323738
2-(difluoromethoxy)-N-(morpholin-2-ylmethyl)benzamide
CID 43602974

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2,5-difluoro-N-(morpholin-2-ylmethyl)benzamide?
The IUPAC name of 4-chloro-2,5-difluoro-N-(morpholin-2-ylmethyl)benzamide (CID 82772508) is 4-chloro-2,5-difluoro-N-(morpholin-2-ylmethyl)benzamide.
What is the SMILES notation for 4-chloro-2,5-difluoro-N-(morpholin-2-ylmethyl)benzamide?
The canonical SMILES for 4-chloro-2,5-difluoro-N-(morpholin-2-ylmethyl)benzamide is O=C(NCC1CNCCO1)c1cc(F)c(Cl)cc1F.
What is the InChIKey of 4-chloro-2,5-difluoro-N-(morpholin-2-ylmethyl)benzamide?
The InChIKey is LTQOKHYATBHKAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13ClF2N2O2/c13-9-4-10(14)8(3-11(9)15)12(18)17-6-7-5-16-1-2-19-7/h3-4,7,16H,1-2,5-6H2,(H,17,18).
What are the key properties of 4-chloro-2,5-difluoro-N-(morpholin-2-ylmethyl)benzamide?
4-chloro-2,5-difluoro-N-(morpholin-2-ylmethyl)benzamide has a molecular weight of 290.70 g/mol, XLogP of 1.34, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2,5-difluoro-N-(morpholin-2-ylmethyl)benzamide is sourced from PubChem (CID 82772508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).